(2S,4R)-4-oxidanyl-1-[10-oxidanylidene-9-(sulfanylmethyl)azecan-2-yl]carbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4R)-4-oxidanyl-1-[10-oxidanylidene-9-(sulfanylmethyl)azecan-2-yl]carbonyl-pyrrolidine-2-carboxylic acid Openeye Name: (2S,4R)-4-hydroxy-1-[10-oxo-9-(sulfanylmethyl)azecane-2-carbonyl]pyrrolidine-2-carboxylic acid CAS Name: (2S,4R)-4-hydroxy-1-[[9-(mercaptomethyl)-10-oxo-2-azecanyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4R)-4-hydroxy-1-[10-oxo-9-(sulfanylmethyl)azecane-2-carbonyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S,4R)-4-hydroxy-1-[10-keto-9-(mercaptomethyl)azecane-2-carbonyl]proline Formula: C16H26N2O5S MolecularWeight: 358.45304

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(NC(=O)C(CC1)CS)C(=O)N2CC(CC2C(=O)O)O

Isomeric SMILES

C1CCCC(NC(=O)C(CC1)CS)C(=O)N2C[C@@H](C[C@H]2C(=O)O)O

InChI

InChI=1S/C16H26N2O5S/c19-11-7-13(16(22)23)18(8-11)15(21)12-6-4-2-1-3-5-10(9-24)14(20)17-12/h10-13,19,24H,1-9H2,(H,17,20)(H,22,23)/t10?,11-,12?,13+/m1/s1